N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide

C22H22Cl3N3O2S — CID 22641656

IUPACN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C22H22Cl3N3O2S/c23-15-1-6-20-21(7-8-26-22(20)12-15)27-18-2-4-19(5-3-18)28-31(29,30)13-14-9-16(24)11-17(25)10-14/h1,6-12,18-19,28H,2-5,13H2,(H,26,27)
InChIKeyQPIHANYQCBLDQD-UHFFFAOYSA-N
MW498.86 g/mol
LogP6.04
Rot. Bonds6

About N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide

N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide (PubChem CID 22641656) has the molecular formula C22H22Cl3N3O2S and a molecular weight of 498.86 g/mol. Its IUPAC name is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide
PubChem CID22641656
Molecular FormulaC22H22Cl3N3O2S
Molecular Weight498.86 g/mol
Exact Mass497.05
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C22H22Cl3N3O2S/c23-15-1-6-20-21(7-8-26-22(20)12-15)27-18-2-4-19(5-3-18)28-31(29,30)13-14-9-16(24)11-17(25)10-14/h1,6-12,18-19,28H,2-5,13H2,(H,26,27)
InChIKeyQPIHANYQCBLDQD-UHFFFAOYSA-N
XLogP6.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.86
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide with MolForge

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Related Compounds

4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 69198675
5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide
CID 22641539
cis-(1R,3S)-1-N-[(4-chlorophenyl)methyl]-3-N-(7-chloroquinolin-4-yl)cyclopentane-1,3-diamine;dihydrochloride
CID 70199639
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]cyclopentanecarboxamide
CID 22641578
N-(azepan-4-yl)-7-chloroquinolin-4-amine
CID 107173682
4-N-(7-chloroquinolin-4-yl)-1-N-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine;dihydrochloride
CID 70203482
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
2-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]pyridine-4-carboxamide
CID 22641834
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
CID 10237562
4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine
CID 10237752
7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 67618697
7-chloro-N-(3-methylsulfanylcyclopentyl)quinolin-4-amine
CID 103704139

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide?
The IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide (CID 22641656) is N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide?
The canonical SMILES for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide is O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide?
The InChIKey is QPIHANYQCBLDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl3N3O2S/c23-15-1-6-20-21(7-8-26-22(20)12-15)27-18-2-4-19(5-3-18)28-31(29,30)13-14-9-16(24)11-17(25)10-14/h1,6-12,18-19,28H,2-5,13H2,(H,26,27).
What are the key properties of N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide?
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide has a molecular weight of 498.86 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 22641656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).